5-(heptanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 5-(heptanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 5-(heptanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-pyridylmethyl)benzamide CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-5-(1-oxoheptylamino)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 5-(heptanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 5-(enanthylamino)-2-[4-(2-methoxyphenyl)piperazino]-N-(3-pyridylmethyl)benzamide Formula: C31H39N5O3 MolecularWeight: 529.67306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CCCCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C31H39N5O3/c1-3-4-5-6-13-30(37)34-25-14-15-27(26(21-25)31(38)33-23-24-10-9-16-32-22-24)35-17-19-36(20-18-35)28-11-7-8-12-29(28)39-2/h7-12,14-16,21-22H,3-6,13,17-20,23H2,1-2H3,(H,33,38)(H,34,37)